1,3,5-triphenyl-2-[(2,4,6-triphenylphenyl)peroxy]benzene

• ChemBase ID: 138482
• Molecular Formular: C48H34O2
• Molecular Mass: 642.78236
• Monoisotopic Mass: 642.25588033
• SMILES: c1ccc(cc1)c1cc(c(c(c1)c1ccccc1)OOc1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cc(cc(c1OOc1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C48H34O2/c1-7-19-35(20-8-1)41-31-43(37-23-11-3-12-24-37)47(44(32-41)38-25-13-4-14-26-38)49-50-48-45(39-27-15-5-16-28-39)33-42(36-21-9-2-10-22-36)34-46(48)40-29-17-6-18-30-40/h1-34H
• InChIKey: BUQFBTRFAHBGDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-triphenyl-2-[(2,4,6-triphenylphenyl)peroxy]benzene
• IUPAC Traditional name: 1,3,5-triphenyl-2-[(2,4,6-triphenylphenyl)peroxy]benzene
• Synonyms: 5′-Phenyl-1,1′:3′,1′′-terphenyl-2′-yloxy dimer; 2,4,6-Triphenylphenoxyl,dimer; 5′-苯基-1,1′:3′,1′′-三联苯-2′-基氧基二聚体; 2,4,6-三苯基苯氧基二聚体

Database IDs

• CAS Number: 72915-92-5
• PubChem SID: 162232737
• PubChem CID: 278665

CALCULATED PROPERTIES

• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 13.507988
• LogD (pH = 7.4): 13.507988
• Log P: 13.507988
• Molar Refractivity: 204.4662 cm^3
• Polarizability: 87.967606 Å^3

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C48H34O2